6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one

C12H24O4Si — CID 150745062

IUPAC6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOC[SiH](OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-15-17(16-6-2)10-14-9-7-8-12(13)11(3)4/h17H,3,5-10H2,1-2,4H3
InChIKeyJUQWHRKENRICIH-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.76
Rot. Bonds11

About 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one

6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one (PubChem CID 150745062) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one
PubChem CID150745062
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCOC[SiH](OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-15-17(16-6-2)10-14-9-7-8-12(13)11(3)4/h17H,3,5-10H2,1-2,4H3
InChIKeyJUQWHRKENRICIH-UHFFFAOYSA-N
XLogP1.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methacrylpropyltriethoxysilane
CID 18364579
Methacryloyl-3-oxy-propyl trimethoxysilane
CID 129713711
gamma-Methacrylpropyloxysilane
CID 134821203
Trimethyl (5-methyl-4-oxohex-5-enyl) silicate
CID 14367926
CID 17859969
CID 17859969
2-Methyl-4-triethoxysilylhex-1-en-3-one
CID 22992605
2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione
CID 57021530
6-[Ethoxy(dimethoxy)silyl]-2-methylhex-1-en-3-one
CID 58422066
6-Methoxy-2-methylhex-1-en-3-one
CID 79191134
Triethyl (5-methyl-4-oxohex-5-enyl) silicate
CID 88087515
2-Methyl-6-(5-methyl-4-oxohex-5-enoxy)hex-1-en-3-one
CID 88591198
3-Methyl-1-(oxiran-2-yl)-1-triethoxysilylbut-3-en-2-one
CID 88610425

Frequently Asked Questions

What is the IUPAC name of 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one?
The IUPAC name of 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one (CID 150745062) is 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one?
The canonical SMILES for 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one is C=C(C)C(=O)CCCOC[SiH](OCC)OCC.
What is the InChIKey of 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one?
The InChIKey is JUQWHRKENRICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-15-17(16-6-2)10-14-9-7-8-12(13)11(3)4/h17H,3,5-10H2,1-2,4H3.
What are the key properties of 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one?
6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one has a molecular weight of 260.41 g/mol, XLogP of 1.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethoxysilylmethoxy)-2-methylhex-1-en-3-one is sourced from PubChem (CID 150745062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).